SCHEMBL2147398

SCHEMBL2147398

CC(=S)OCC(C)COC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13168166 0.88 TSHR (0.36) TSHRMAPT
SCHEMBL3401939 0.86 TDP1 (0.41) TSHRMAPT
SCHEMBL1342764 0.79 ALDH1A1 (0.33) TSHR
SCHEMBL3398666 0.78 MAPT (0.43) TSHRMAPT
SCHEMBL4755925 0.77 ALOX15 (0.42) TSHRMAPT
SCHEMBL12181012 0.76 TSHR (0.35) TSHRMAPT
SCHEMBL6060785 0.76 MAPT (0.48) TSHRMAPT
SCHEMBL12414729 0.76 MAPT (0.48) TSHRMAPT
SCHEMBL1345013 0.76 ALDH1A1 (0.37) TSHR
SCHEMBL14534385 0.76 ALDH1A1 (0.35) TSHRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013023155-A1 ANHYDROUS AND HEMIHYDRATE CRYSTALLINE FORMS OF AN (R)-BACLOFEN PRODRUG, METHODS OF SYNTHESIS AND METHODS OF USE XENOPORT, INC. (US) 2013-02-14 WO disclosed
WO-2011091164-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A TRANEXAMIC ACID PRODRUG XENOPORT, INC. (US) 2011-07-28 WO disclosed
EP-2250143-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XenoPort, Inc. (US) 2010-11-17 EP disclosed
WO-2009094569-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT, INC. (US) 2009-07-30 WO disclosed
EP-1919859-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE Xenoport, Inc. (US) 2008-05-14 EP disclosed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO disclosed